National Cancer Institute (NCI) Program for Natural Product Discovery: Exploring NCI-60 Screening Data of Natural Product Samples with Artificial Neural Networks

Jason R Evans; Rhone K Akee; Shaurya Chanana; Grant D McConachie; Christopher C Thornburg; Tanja Grkovic; Barry R O'Keefe

doi:10.1021/acsomega.2c07416

National Cancer Institute (NCI) Program for Natural Product Discovery: Exploring NCI-60 Screening Data of Natural Product Samples with Artificial Neural Networks

ACS Omega. 2023 Mar 1;8(10):9250-9256. doi: 10.1021/acsomega.2c07416. eCollection 2023 Mar 14.

Authors

Jason R Evans¹, Rhone K Akee², Shaurya Chanana¹, Grant D McConachie², Christopher C Thornburg², Tanja Grkovic^{1

3}, Barry R O'Keefe^{1

3}

Affiliations

¹ Natural Products Branch, Developmental Therapeutic Program, Division of Cancer Treatment and Diagnosis, National Cancer Institute, Frederick, Maryland 21702-1201, United States.
² Natural Products Support Group, Leidos Biomedical Research, Inc., Frederick National Laboratory for Cancer Research, Frederick, Maryland 21702-1201, United States.
³ Molecular Targets Laboratory, Center for Cancer Research, National Cancer Institute, Frederick, Maryland 21702-1201, United States.

Abstract

National Cancer Institute (NCI) Program for Natural Product Discovery is a new initiative aimed at creating new technologies for natural product-based drug discovery. Here, we present the development of a neural network-based bioinformatics platform for visualization and analysis of natural product high-throughput screening data using the NCI's 60 human tumor cell anticancer drug screen. We demonstrate how the tool enables visualization of similar patterns of response that can be parsed both chemically and taxonomically, grouping NCI-60 biological profiles in one easy-to-use bioinformatics interface.